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2248726-53-4

2248726-53-4 Structure

2248726-53-4 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2248726-53-4
[Synonyms]

SAR-441566
SAR-441566(TNFα activity modulator 3)
(7R,14R)-11-[2-(1-aminocyclobutyl)-5-pyrimidinyl]-1-(difluoromethoxy)-6,7-dihydro-6-methyl-7,14-Methanobenzimidazo[1,2-b][2,5]benzodiazocin-5(14H)-one
7,14-Methanobenzimidazo[1,2-b][2,5]benzodiazocin-5(14H)-one, 11-[2-(1-aminocyclobutyl)-5-pyrimidinyl]-1-(difluoromethoxy)-6,7-dihydro-6-methyl-, (7R,14R)-
[Molecular Formula]

C27H24F2N6O2
[MOL File]

2248726-53-4.mol
[Molecular Weight]

502.52
Chemical PropertiesBack Directory
[Boiling point ]

735.4±60.0 °C(Predicted)
[density ]

1.60±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

8.70±0.20(Predicted)
[color ]

White to off-white
[InChIKey]

UROFXMLQPAUCGV-WOJBJXKFSA-N
[SMILES]

O(C1C=CC=C2C(N([C@]3([H])C[C@]([H])(C2=1)N1C2=CC(C4=CN=C(C5(CCC5)N)N=C4)=CC=C2N=C13)C)=O)C(F)F
Hazard InformationBack Directory
[Uses]

TNFα activity modulator 3 (example 6) is a modulator of TNF activity that inhibits TNFα-induced NF-κB activation and can be utilized in relevant research[1].
[References]

[1] Daniel C, et al. Fused pentacyclic imidazole derivatives as modulators of tnf activity, WO2018197503A1, 2018-11-01
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